Reliable p <i>K</i> <sub>a</sub> Prediction through Efficient Incorporation of Anharmonicity within the Nuclear–Electronic Orbital Framework
J
Jang Mok Yoo
(Department of Chemistry)
M
Mathew Chow
(Department of Chemistry)
E
Eno Paenurk
(Department of Chemistry)
S
Sharon Hammes-Schiffer
(Department of Chemistry)
Article Details
Volume / Issue
Vol. 147, Issue 40
Published
October 08, 2025
Pages
36059-36065
ISSN
0002-7863
Publisher
American Chemical Society
Journal Info
Journal of the American Chemical Society
American Chemical Society
ISSN: 0002-7863 Physical Sciences
Authors (4)
J
Jang Mok Yoo
Department of Chemistry
M
Mathew Chow
Department of Chemistry
E
Eno Paenurk
Department of Chemistry
S
Sharon Hammes-Schiffer
Department of Chemistry
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